ChemistrySelect,
Journal Year:
2024,
Volume and Issue:
9(48)
Published: Dec. 1, 2024
Abstract
An
efficient
approach
for
the
construction
of
β‐ketosulfones
has
been
developed
by
direct
oxysulfonylation
styrene
with
N
‐hydroxy
aryl
sulfonamide.
The
metal‐free
reaction
proceeds
smoothly
in
presence
iodine/TBHP
system
and
ethanol
medium
to
provide
diverse
good
yields.
Moreover,
readily
available
starting
materials,
a
broad
range
functional
group
tolerance,
radical
pathway,
greener
solvents,
mild
conditions
are
advantageous
points
present
protocol.
Scientific Reports,
Journal Year:
2025,
Volume and Issue:
15(1)
Published: Feb. 13, 2025
In
this
paper,
several
graph-based
descriptors
are
applied,
including
some
extended
energies,
such
as
Sombor
and
Banhatti
for
the
prediction
of
important
thermodynamic
properties
BHC.
fact,
strong
relationships
observed
between
energies
many
that
include
boiling
point,
Kovats
retention
index,
formation
enthalpy
entropy,
octanol-water
partition
coefficient,
acentric
factor.
These
results
evidence
can
be
employed
a
rapid
reliable
tool
properties.
This
method
opens
new
avenue
applications
in
material
design,
molecular
stability
analysis,
optimization
industrial
processes.
Scientific Reports,
Journal Year:
2025,
Volume and Issue:
15(1)
Published: Jan. 6, 2025
In
this
article,
we
present
the
concept
of
extended
Seidel
energy
by
employing
a
generalized
matrix
to
study
various
molecular
properties,
including
Kovats
retention
index,
boiling
point,
enthalpy
formation,
entropy,
acentric
factor,
and
octanol-water
partition
coefficient.
Our
research
broadens
scope
matrices
in
graph
theory,
with
particular
emphasis
on
Sombor
energy,
reduced
average
Banhatti
energy.
We
examined
correlation
these
graph-based
descriptors
thermodynamic
properties
Benzenoid
hydrocarbons
(BHC),
uncovering
strong
relationships
between
indices
different
attributes.
These
results
provide
valuable
insights
into
predictive
potential
energies
modeling
behavior
polycyclic
aromatic
hydrocarbons.
Archiv der Pharmazie,
Journal Year:
2025,
Volume and Issue:
358(4)
Published: April 1, 2025
ABSTRACT
Malononitrile,
modified
hydrazine,
and
quinoline
aldehyde
were
combined
in
a
one‐pot
reaction
under
microwave
irradiation
to
create
the
medicinally
significant
family
of
heterocyclic
scaffolds,
quinoline,
coumarin,
thiazole,
pyrazole
4‐carbonitrile
derivatives
with
help
green
solvent
as
water.
WELPSA
(water
extract
lemon
peel‐soaked
ash)
is
used
speed
up
solvent‐free
environment,
according
more
environmentally
friendly
protocols.
This
methodology
offers
several
advantages
like
short
duration,
synthesis,
high
yield,
no
need
for
chromatographic
techniques,
catalyst
recyclability
five
cycles,
so
on.
Synthesized
evaluated
anticancer
potential
against
lung
(A549)
breast
cancer
cell
lines.
Among
tested
compounds,
4i
4j
exhibited
remarkable
activities.
Further
investigations
using
Annexin
V
staining
flow
cytometry
revealed
that
both
compounds
effectively
induced
apoptosis
A549
cells.
Compound
was
subjected
molecular
docking
dynamic
studies
understand
basis
their
activity,
which
demonstrated
strong
interaction
target
protein
1m17,
providing
insights
into
its
mechanism
action.
These
findings
highlight
promising
candidates
drug
development.
